rc = 4.5 delr = 0.1 augt1 = 0 erose_form = 2 ialloy = 2 zbl(1,1) = 0 nn2(1,1) = 1 attrac(1,1) = 0.05 repuls(1,1) = 0.05 Cmin(1,1,1) = 1.53 Cmax(1,1,1) = 2.8 Ec(1,1) = 5.77 re(1,1) = 2.77 zbl(2,2) = 0 nn2(2,2) = 1 attrac(2,2) = 0 repuls(2,2) = 0 Cmin(2,2,2) = 0.49 Cmax(2,2,2) = 2 Ec(2,2) = 4.41 re(2,2) = 2.5 zbl(1,2) = 0 nn2(1,2) = 1 rho0(1) = 1 rho0(2) = 1 Ec(1,2) = 5.57 re(1,2) = 2.727 alpha(1,2) = 6.03709800893984 attrac(1,2) = 0.0375 repuls(1,2) = 0.0375 Cmin(1,1,2) = 1.53 Cmin(2,2,1) = 0.49 Cmin(1,2,1) = 2.3 Cmin(1,2,2) = 2.4 Cmin(2,1,1) = 2.3 Cmin(2,1,2) = 2.4 Cmax(1,1,2) = 2.8 Cmax(2,2,1) = 2.8 Cmax(1,2,1) = 2.8 Cmax(1,2,2) = 2.8 Cmax(2,1,1) = 2.8 Cmax(2,1,2) = 2.8 lattce(1,2) = 'l12'